SCHEMBL688009

SCHEMBL688009

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2cccn(Cc3ccc(F)cc3Cl)c2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 15/20 0.58
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
MAPK1 P28482 2/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL686797 0.91 KDM4E (0.48) PTGER3ALDH1A1KDM4EMAPK1MEN1
SCHEMBL687926 0.91 PTGER3 (0.55) PTGER3ALDH1A1KDM4EMAPK1MEN1
SCHEMBL688001 0.90 KDM4E (0.48) PTGER3ALDH1A1KDM4EMAPK1MEN1
SCHEMBL687891 0.89 PTGER3 (0.69) PTGER3ALDH1A1KDM4EMAPK1MEN1
SCHEMBL688469 0.89 KDM4E (0.58) PTGER3ALDH1A1KDM4EMAPK1MEN1
SCHEMBL686756 0.88 ALDH1A1 (0.46) PTGER3ALDH1A1KDM4EMAPK1MEN1
SCHEMBL687322 0.87 PTGER3 (0.50) PTGER3ALDH1A1KDM4EMAPK1MEN1
SCHEMBL688515 0.86 PTGER3 (0.55) PTGER3ALDH1A1KDM4EMAPK1MEN1
SCHEMBL687857 0.85 PTGER3 (0.55) PTGER3ALDH1A1KDM4EMAPK1MEN1
SCHEMBL687605 0.85 PTGER3 (0.59) PTGER3ALDH1A1KDM4EMAPK1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed